Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM163603
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163603 |
| SMILES |
C=CC#CC(C)C(C)=O
|
| InChIKey |
XTLLMTHDBZITNA-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM294468
Similarity: 0.8723
Similarity to MM294468
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396286
Similarity: 0.7961
Similarity to MM396286
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8865 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358661
Similarity: 0.781
Similarity to MM358661
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8837 |
| Dice metric | 0.877 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
